KEGG   COMPOUND: C09447Help
Entry
C09447                      Compound                               

Name
10-epi-Eupatoroxin
Formula
C20H24O8
Exact mass
392.1471
Mol weight
392.3998
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09447  10-epi-Eupatoroxin
BRITE hierarchy
Other DBs
CAS: 20071-54-9
PubChem: 11638
ChEBI: 708
ChEMBL: CHEMBL402485
KNApSAcK: C00003280
3DMET: B02975
NIKKAJI: J2.769.864F
KCF data Show

ATOM        28
            1   O7a O    27.4481  -15.6909
            2   C7a C    28.7242  -14.9272
            3   C2c C    29.9296  -15.6201
            4   O6a O    28.7242  -13.5341
            5   C1z C    23.0130  -15.0770
            6   C1z C    21.6260  -15.2153
            7   C1y C    23.3114  -13.7135
            8   C1y C    23.8953  -16.1648
            9   O1a O    22.0825  -16.4748
            10  C1y C    21.0592  -13.9393
            11  O2x O    20.1702  -15.2006
            12  C1a C    20.6205  -16.1840
            13  C1z C    24.5634  -13.0915
            14  C1y C    22.1056  -13.0121
            15  C1y C    25.2962  -16.1511
            16  O7x O    23.4777  -17.5002
            17  C1x C    25.8333  -13.6676
            18  C1x C    24.5746  -11.7055
            19  O2x O    25.7802  -12.4071
            20  O1a O    21.9644  -11.6300
            21  C1y C    26.1573  -15.0368
            22  C2y C    25.7485  -17.4812
            23  C7x C    24.6218  -18.3150
            24  C2a C    27.0739  -17.8928
            25  O6a O    24.6366  -19.7030
            26  C1a C    31.1351  -14.9270
            27  C2b C    29.9296  -17.0130
            28  C1a C    28.7242  -17.7130
BOND        32
            1     2   3 1
            2     5   6 1
            3     5   7 1
            4     5   8 1
            5     5   9 1 #Down
            6     6  10 1
            7     6  11 1
            8     6  12 1 #Up
            9     7  13 1
            10    7  14 1
            11    8  15 1
            12    8  16 1
            13   13  17 1
            14   13  18 1 #Down
            15   13  19 1 #Up
            16   14  20 1 #Up
            17   15  21 1
            18   15  22 1
            19   16  23 1
            20   21   1 1 #Up
            21   22  24 2
            22   23  25 2
            23   10  11 1
            24   10  14 1
            25   17  21 1
            26   18  19 1
            27   22  23 1
            28    3  26 1
            29    1   2 1
            30    3  27 2
            31    2   4 2
            32   27  28 1

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